1-[tert-butyl(dimethyl)silyl]-2-fluoroethanone

C8H17FOSi — CID 86003428

IUPAC1-[tert-butyl(dimethyl)silyl]-2-fluoroethanone
SMILESCC(C)(C)[Si](C)(C)C(=O)CF
InChIInChI=1S/C8H17FOSi/c1-8(2,3)11(4,5)7(10)6-9/h6H2,1-5H3
InChIKeyZYKXGQOGTHQYLD-UHFFFAOYSA-N
MW176.31 g/mol
LogP2.57
Rot. Bonds2

About 1-[tert-butyl(dimethyl)silyl]-2-fluoroethanone

1-[tert-butyl(dimethyl)silyl]-2-fluoroethanone (PubChem CID 86003428) has the molecular formula C8H17FOSi and a molecular weight of 176.31 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]-2-fluoroethanone.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]-2-fluoroethanone
PubChem CID86003428
Molecular FormulaC8H17FOSi
Molecular Weight176.31 g/mol
Exact Mass176.10
IUPAC Name1-[tert-butyl(dimethyl)silyl]-2-fluoroethanone
SMILESCC(C)(C)[Si](C)(C)C(=O)CF
InChIInChI=1S/C8H17FOSi/c1-8(2,3)11(4,5)7(10)6-9/h6H2,1-5H3
InChIKeyZYKXGQOGTHQYLD-UHFFFAOYSA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.31
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-[Ditert-butyl(fluoro)silyl]ethanone
CID 87707839
2-Fluoro-1-tri(propan-2-yl)silylethanone
CID 86211349
Acetyl(tert-butyl)dimethylsilane
CID 11367157
(2R,4S)-2-[tert-butyl(dimethyl)silyl]-4-fluoropentan-3-one
CID 15522414
2,2,2-Trifluoro-1-tri(propan-2-yl)silylethanone
CID 18454915
1-[Tert-butyl(dimethyl)silyl]-2,2,2-trifluoroethanone
CID 57783807
1-[tert-Butyl(dimethyl)silyl]propan-1-one
CID 13446384
(Difluoroacetyl)tris(isopropyl)silane
CID 11447724
1-[Tert-butyl(dimethyl)silyl]-2,2-difluoroethanone
CID 11480993
2-Fluoro-1-triethylsilylethanone
CID 86003424
2,2,2-Trifluoro-1-[tris(2-methylpropyl)silyl]ethanone
CID 87197971
3-[Tert-butyl(dimethyl)silyl]-1,1,1-trifluoropropan-2-one
CID 163837702

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]-2-fluoroethanone?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]-2-fluoroethanone (CID 86003428) is 1-[tert-butyl(dimethyl)silyl]-2-fluoroethanone.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]-2-fluoroethanone?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]-2-fluoroethanone is CC(C)(C)[Si](C)(C)C(=O)CF.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]-2-fluoroethanone?
The InChIKey is ZYKXGQOGTHQYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FOSi/c1-8(2,3)11(4,5)7(10)6-9/h6H2,1-5H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]-2-fluoroethanone?
1-[tert-butyl(dimethyl)silyl]-2-fluoroethanone has a molecular weight of 176.31 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]-2-fluoroethanone is sourced from PubChem (CID 86003428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).